BDBM24691 2-[(4-{2-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]-1,3-dithian-2-yl}phenyl)formamido]pentanedioic acid::C10 substituted dithiane, 9

SMILES Nc1nc(N)c(CCCC2(SCCCS2)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1

InChI Key InChIKey=QWVPZTYSIMAXEN-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24691   

TargetBifunctional purine biosynthesis protein ATIC(Human)
The Scripps Research Institute

LigandPNGBDBM24691(2-[(4-{2-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidi...)
Affinity DataKi:  2.00E+4nM ΔG°:  -6.43kcal/molepH: 7.4 T: 26°CAssay Description:Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed